화학공학소재연구정보센터
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No. Article
1 Computational Study of Transition-Metal Substitutions in Rutile TiO2 (110) for Photoelectrocatalytic Ammonia Synthesis
Comer BM, Lenk MH, Rajanala AP, Flynn EL, Medford AJ
Catalysis Letters, 151(4), 1142, 2021
2 Hybrid Functional Study of H-Abstraction from Methane by Li-Doped, Pristine and Stepped MgO(100) and MgO(110) Surfaces
Ishikawa A, Tateyama Y
Catalysis Letters, 151(3), 627, 2021
3 Flow Synthesis of 2-[Methyl(pyridin-2-yl)amino]ethanol: An Experimental and Computational Study
Calvo PVC, Batista PR, Silva RRD, Converti A, Al Arni S, Solisio C, Ducati LC, Palma MSA
Chemical Engineering & Technology, 44(2), 283, 2021
4 Electron Density-based Estimation of Diradical Character: An Easy Scheme for DFT/Plane-wave Calculations
Tada K, Kitagawa Y, Kawakami T, Okumura M, Tanaka S
Chemistry Letters, 50(2), 392, 2021
5 Experimental and density functional theory study of the influence mechanism of oxygen on NO heterogeneous reduction in deep air-staged combustion
Chen P, Gu MY, Wang DF, Wang JL, Huang XY, Wang H, Lin YY
Combustion and Flame, 223, 127, 2021
6 Strong lithium-polysulfide anchoring effect of amorphous carbon for lithium-sulfur batteries
Jeon T, Lee YC, Hwang JY, Choi BC, Lee S, Jung SC
Current Applied Physics, 22, 94, 2021
7 First-principles study of Cs2Ti1-xMxBr6 (M = Pb, Sn) and numerical simulation of the solar cells based on Cs2Ti0.25Sn0.75Br6 perovskite
Shrivastava P, Kavaipatti B, Bhargava P
International Journal of Energy Research, 45(5), 8049, 2021
8 Tailoring the oxygen content in lithiated silicon oxide for lithium-ion batteries
Moon J
International Journal of Energy Research, 45(5), 7315, 2021
9 Dependence of Mg, Be and Al substitution on the hydrogen storage characteristics of ZrNiH3
Rkhis M, Alaoui-Belghiti A, Laasri S, Touhtouh S, Hlil E, Bououdina M, Zaidat K, Obbade S, Hajjaji A
International Journal of Energy Research, 45(2), 2292, 2021
10 Insight into structural distribution of heterogeneous Ziegler-Natta catalyst from non-empirical structure determination
Takasao G, Wada T, Thakur A, Chammingkwan P, Terano M, Taniike T
Journal of Catalysis, 394, 299, 2021